2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one CAS Name: 2-[1-(4-oxo-1H-quinazolin-2-yl)ethylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[1-(4-keto-1H-quinazolin-2-yl)ethylthio]quinazolin-4-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C21H18N4O2S/c1-3-12-25-20(27)15-9-5-7-11-17(15)23-21(25)28-13(2)18-22-16-10-6-4-8-14(16)19(26)24-18/h3-11,13H,1,12H2,2H3,(H,22,24,26)